2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

C16H9ClN2O3 — CID 135867966

IUPAC2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(O)cc12
InChIInChI=1S/C16H9ClN2O3/c17-11-4-2-1-3-9(11)15-18-13-10-7-8(20)5-6-12(10)22-14(13)16(21)19-15/h1-7,20H,(H,18,19,21)
InChIKeyPIQQGEFPKANVCP-UHFFFAOYSA-N
MW312.71 g/mol
LogP3.70
Rot. Bonds1

About 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one

2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 135867966) has the molecular formula C16H9ClN2O3 and a molecular weight of 312.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID135867966
Molecular FormulaC16H9ClN2O3
Molecular Weight312.71 g/mol
Exact Mass312.03
IUPAC Name2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(O)cc12
InChIInChI=1S/C16H9ClN2O3/c17-11-4-2-1-3-9(11)15-18-13-10-7-8(20)5-6-12(10)22-14(13)16(21)19-15/h1-7,20H,(H,18,19,21)
InChIKeyPIQQGEFPKANVCP-UHFFFAOYSA-N
XLogP3.70
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-2-(2-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135566645
8-bromo-2-(2-hydroxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867999
8-bromo-2-(2,3-dichlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867997
8-bromo-2-(2-iodophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867908
8-bromo-2-(2-methylphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;ethane
CID 143831080
8-bromo-2-(2-chloro-3-methoxyphenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867976
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
8-bromo-2-(4-chlorophenyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867950
8-bromo-2-[2-chloro-5-(2H-pyridin-1-yl)phenyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 154504995
3-(2-chlorophenyl)-6-hydroxy-2-sulfanylchromen-4-one
CID 11580343
N-[4-(8-bromo-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-chlorophenyl]-2,3-dihydrothiadiazole-4-carboxamide
CID 143831024
2-(4-amino-2-methylphenyl)-8-bromo-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135868000

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 135867966) is 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2Cl)nc2c1oc1ccc(O)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is PIQQGEFPKANVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O3/c17-11-4-2-1-3-9(11)15-18-13-10-7-8(20)5-6-12(10)22-14(13)16(21)19-15/h1-7,20H,(H,18,19,21).
What are the key properties of 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one?
2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 312.71 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-hydroxy-3H-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135867966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).